Prediction of surface tension, viscosity, and thermal conductivity for common organic solvents using quantitative structure-property relationships

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 2, 2001, Pages 408-418

  Kauffman, Gregory W ^a   Jurs, Peter C ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0035272647     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000139t     Document Type: Article

References (10)

1. Ash, I.; Ash, M. The Index of Solvents; Gower Publishing: England, 1996.
2. Katritzky, A. R.; Maran, U.; Lobanov, V. S.; Karelson, M. Structurally Diverse Quantitative Structure-Property Relationship Correlations of Technologically Relevant Physical Properties. J. Chem. Inf. Comput. Sci. 2000, 40, 1-18.
3. Stanton, D. T.; Jurs, P. C. Computer-Assisted Study of the Relationship between Molecular Structure and Surface Tension of Organic Compounds. J. Chem. Inf. Comput. Sci. 1992, 32, 109-115.
4. Jurs, P. C.; Chou, J. T.; Yuan, M. In Olsen, E. C., Christoffersen, R. E., Eds.; Americal Chemical Society: Washington, DC, 1979.
5. Stuper, A. J.; Brugger, W. E.; Jurs, P. C. Computer-Assisted Studies of Chemical Structure and Biological Function; Wiley: New York, 1979.
6. Kavun, S. M.; Chalykh, A. E.; Palyulin, V. A. Prediction of Surface Tension of Organic Liquids. Colloid J. 1995, 57, 767-771.
7. Gupta, S. P. QSAR Studies on Drugs Acting at the Central Nervous System. Chem. Rev. 1989, 89, 1765-1800.
8. Suzuki, T.; Ebert, R.; Shuurmann, G. Development of Both Linear and Nonlinear Methods to Predict the Liquid Viscosity at 20 °C of Organic Compounds. J. Chem. Inf. Comput. Sci. 1997, 37, 1122-1128.
9. Schuurmann, G.; Kuhne, R.; Kleint, F.; Ebert, R.-U.; Rothenbacher, C.; Herth, P. A. In A Software System for Automatic Chemical Property Estimation from Molecular Structure; Chen, F., Schuurmann, G., Eds.; SETAC Press: Pensacola, 1997.
10. Ivanciuc, O.; Ivanciuc, T.; Filip, P.; Cabrol-Bass, D. Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model. J. Chem. Inf. Comput. Sci. 1999, 39, 515-524.